gallamine

Ligand Id: 356
Ligand name gallamine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 21
Topological polar surface area 27.69
Molecular weight 510.46
XLogP 4.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
2-[2,6-bis(2-triethylazaniumylethoxy)phenoxy]ethyl-triethylazanium
International Nonproprietary Names
INN number INN
1928 gallamine triethiodide
Database Links
BindingDB Ligand 50149891
CAS Registry No. 65-29-2
ChEBI CHEBI:406429
ChEMBL Ligand CHEMBL360055
DrugBank Ligand DB00483
PubChem CID 3450
RCSB PDB Ligand GMN
Search Google for chemical match using the InChIKey OZLPUNFFCJDMJD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OZLPUNFFCJDMJD
Search PubMed clinical trials gallamine triethiodide
Search PubMed titles gallamine triethiodide
Search PubMed titles/abstracts gallamine triethiodide
Wikipedia Gallamine_triethiodide
ZINC ZINC03830882
Comments
The approved drug contains three iodine ions and is called gallamine triethiodide. This drug is known as a nondepolarizing neuromuscular blocking drug (NDMRD). Note that there is no information regarding approval for medical use of gallamine triethiodide on the US FDA website. Individual national agencies may have granted marketing approval.